≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
(ν0,ν1ν2ν3)
Source ID

13628 materials founds

▹ Formula ▹ Source ▹ ID ▹ space group ▴ centered ▹ nat ▹ ne ▹ dim ▹ gap ▹ dir. gap ▹ met. ▹ ν wcc ▹ updated
TlBrO4 ICSD 65659 Pnma (62) ✔ 24 176 1 3.7139 3.827 0.000 (0;000) ✗ 04/08/17
Te2Br COD 1527657 Pnma (62) ✔ 24 152 1 0.0 0.462 0.060 (0;000) ✗ 04/08/17
TlBS2 COD 4027829 R-3m (166) ✔ 24 168 2 0.0 0.038 1.000 (1;011) ✗ 04/08/17
AgC2N3 COD 9007855 Pnma (62) ✔ 24 136 3 3.3948 3.569 0.000 (0;000) ✗ 04/08/17
CsC2N3 ICSD 249791 C2/c (15) ✔ 24 128 1 4.6862 4.686 0.000 (0;000) ✗ 04/08/17
C2(OF2)3 ICSD 401780 P-1 (2) ✔ 22 136 1 4.7561 4.795 0.000 (0;000) ✗ 04/08/17
H3C2N COD 2103498 P2_1/c (14) ✔ 24 64 1 7.2294 7.259 0.000 (0;000) ✗ 04/08/17
H3C2N COD 5000306 P-1 (2) ✔ 24 64 1 3.0551 3.102 0.000 (0;000) ✗ 04/08/17
SrCuAs ICSD 107943 P6_3/mmc (194) ✔ 6 52 2 0.0 0.185 0.079 (0;000) ✗ 05/01/17
H3C2O COD 2216740 P-1 (2) ✔ 24 68 2 3.2998 3.326 0.000 (0;000) ✗ 04/08/17
AsF5 ICSD 65477 P6_3/mmc (194) ✔ 12 80 1 5.6073 5.607 0.000 (0;000) ✗ 05/01/17
HC2F COD 2223886 C2/c (15) ✔ 24 96 1 4.7694 4.810 0.000 (0;000) ✗ 04/08/17
HC2F COD 4116822 C2/c (15) ✔ 24 96 1 4.5863 4.606 0.000 (0;000) ✗ 04/08/17
KC2N3 ICSD 411930 Pbcm (57) ✔ 24 128 1 4.8139 4.859 0.000 (0;000) ✗ 04/08/17
KC2N3 ICSD 411931 P2_1/c (14) ✔ 24 128 1 4.3977 4.398 0.000 (0;000) ✗ 04/08/17
KC2N3 ICSD 411932 Pnma (62) ✔ 24 128 1 3.8498 3.850 0.000 (0;000) ✗ 04/08/17
LiC2N3 ICSD 425113 P2/c (13) ✔ 24 104 1 4.6615 4.874 0.000 (0;000) ✗ 04/08/17
NaC2N3 COD 4300181 Pnma (62) ✔ 24 128 1 4.1109 4.141 0.000 (0;000) ✗ 04/08/17
RbC2N3 ICSD 411934 Pbcm (57) ✔ 24 128 1 4.5564 4.557 0.000 (0;000) ✗ 04/08/17
C3Br2O COD 7206336 P2_1/c (14) ✔ 24 128 1 1.2333 1.269 0.000 (0;000) ✗ 04/08/17
C3Cl2O COD 7202469 P2_1/c (14) ✔ 24 128 1 1.4252 1.472 0.000 (0;000) ✗ 04/08/17
Sc2CrC3 ICSD 39202 Pbam (55) ✔ 24 192 3 0.0 0.001 0.685 (0;000) ✗ 04/08/17
C3IF2 COD 7208556 P2_1/c (14) ✔ 24 132 1 2.7461 2.746 0.000 (0;000) ✗ 04/08/17
H2C3Cl COD 2006743 P2_1/c (14) ✔ 24 84 1 4.0279 4.071 0.000 (0;000) ✗ 04/08/17
H2C3F COD 4116821 P2_1/c (14) ✔ 24 84 1 4.1064 4.146 0.000 (0;000) ✗ 04/08/17
H2C3O COD 2002929 P-1 (2) ✔ 24 80 1 1.6811 1.714 0.000 (0;000) ✗ 04/08/17
H2C3S COD 2016192 P-1 (2) ✔ 24 80 1 0.0 0.081 0.158 (0;000) ✗ 04/08/17
H4C3N4 COD 2012828 P-1 (2) ✔ 22 72 1 2.1696 2.279 0.000 (0;000) ✗ 04/08/17
H4C3O4 COD 4507995 P-1 (2) ✔ 22 80 3 2.2883 2.328 0.000 (0;000) ✗ 04/08/17
LiY(CuP)2 ICSD 628287 P-3m1 (164) ✔ 6 46 3 0.0 0.370 0.150 (0;000) ✗ 27/01/17
HC3Cl2 COD 2100447 P-1 (2) ✔ 24 108 1 3.4831 3.649 0.000 (0;000) ✗ 04/08/17
HC3F2 COD 4116823 P2_1/c (14) ✔ 24 108 2 3.7951 4.119 0.000 (0;000) ✗ 04/08/17
C3S7O ICSD 165374 P-1 (2) ✔ 22 120 1 1.8563 2.224 0.000 (0;000) ✗ 04/08/17
C3S8 COD 2001128 P-1 (2) ✔ 22 120 1 1.5344 1.628 0.000 (0;000) ✗ 04/08/17
Ca(C2N3)2 ICSD 411362 C2/c (15) ✔ 22 112 1 4.6058 4.612 0.000 (0;000) ✗ 04/08/17
Cd(C2N3)2 ICSD 413334 Pnnm (58) ✔ 22 116 3 3.7244 3.887 0.000 (0;000) ✗ 04/08/17
C4S3Cl4 COD 7008813 P-1 (2) ✔ 22 124 1 1.7848 1.895 0.000 (0;000) ✗ 04/08/17
H2C4O5 COD 2102818 C2/c (15) ✔ 22 96 1 0.0 0.003 0.172 (0;000) ✗ 04/08/17
Co(C2N3)2 COD 7115193 Pnnm (58) ✔ 22 126 3 0.0 0.000 0.867 (0;000) ✗ 04/08/17
InAsF6 ICSD 417952 R-3 (148) ✔ 8 60 1 4.2374 4.350 0.000 (0;000) ✗ 05/01/17
KAsF6 COD 2310606 R-3m (166) ✔ 8 56 1 3.9593 3.959 0.000 (0;000) ✗ 05/01/17
H5C4N3 COD 2207775 C2/c (15) ✔ 24 72 1 2.9527 2.971 0.000 (0;000) ✗ 04/08/17
H5(C2O)2 COD 4113700 P-1 (2) ✔ 22 66 1 2.6956 2.724 0.000 (0;000) ✗ 04/08/17
H5(C2O)2 COD 4113701 P-1 (2) ✔ 22 66 1 2.693 2.728 0.000 (0;000) ✗ 04/08/17
Mg(C2N3)2 ICSD 411361 Pnnm (58) ✔ 22 112 3 5.0384 5.038 0.000 (0;000) ✗ 04/08/17
Mn(C2N3)2 COD 1526680 Pnnm (58) ✔ 22 122 3 0.0 0.000 0.729 (0;000) ✗ 04/08/17
C4S3N5 COD 4116668 P-1 (2) ✔ 24 118 1 0.0 0.002 0.875 (0;010) ✗ 04/08/17
Ni(C2N3)2 ICSD 85617 Pnnm (58) ✔ 22 112 3 0.0 0.004 0.267 (0;000) ✗ 04/08/17
Sr(C2N3)2 ICSD 411363 C2/c (15) ✔ 22 112 1 4.6628 4.672 0.000 (0;000) ✗ 04/08/17
Hf3Al3C5 ICSD 161587 P6_3/mmc (194) ✔ 22 130 3 0.0 0.000 0.997 (1;000) ✗ 04/08/17
Zr3Al3C5 ICSD 159412 P6_3/mmc (194) ✔ 22 82 3 0.0 0.000 0.988 (1;000) ✗ 04/08/17
Zr3Al3C5 ICSD 606293 P6_3/mmc (194) ✔ 22 82 3 0.0 0.000 0.994 (1;000) ✗ 04/08/17
Fe(CO)5 COD 2310564 C2/c (15) ✔ 22 116 2 3.6826 3.720 0.000 (0;000) ✗ 04/08/17
Na2Cu2TeO6 COD 4309206 C2/m (12) ✔ 11 82 2 0.0768 0.144 0.000 (0;000) ✗ 27/01/17
H5C5N2 COD 2203306 P-1 (2) ✔ 24 70 1 2.377 2.436 0.000 (0;000) ✗ 04/08/17
H3(C3F)2 COD 4102744 P-1 (2) ✔ 22 82 2 2.9015 2.911 0.000 (0;000) ✗ 04/08/17
Li(C3N2)2 COD 4121261 P2/c (13) ✔ 22 94 1 0.0 0.000 0.530 (0;100) ✗ 04/08/17
MgCu2O3 COD 2002199 Pmmn (59) ✔ 12 100 3 0.0 0.005 0.977 (0;000) ✗ 27/01/17
SrCd2 ICSD 420579 Imcm (74) ✔ 6 68 3 0.0 0.020 0.472 (0;111) ✗ 06/10/16
Ca2Fe9O13 COD 1524840 C2/m (12) ✔ 24 170 3 0.0 0.006 0.586 (1;111) ✗ 04/08/17
LiCa2Ge3 ICSD 25323 Pnnm (58) ✔ 24 140 1 0.0 0.030 0.934 (1;000) ✗ 04/08/17
LiCa2Si3 ICSD 25322 Pnnm (58) ✔ 24 140 1 0.0 0.002 0.919 (0;000) ✗ 04/08/17
Ca2PN3 ICSD 72532 Cmce (64) ✔ 24 160 1 2.5689 2.623 0.000 (0;000) ✗ 04/08/17
Ca2VN3 ICSD 409644 C2/c (15) ✔ 24 192 1 1.6877 1.751 0.000 (0;000) ✗ 04/08/17
Ca3Mn2O7 COD 1531133 Cmcm (63) ✔ 24 204 3 0.0 0.003 0.614 (0;000) ✗ 04/08/17
LiAsF6 ICSD 74831 R-3 (148) ✔ 8 50 1 5.5912 5.598 0.000 (0;000) ✗ 05/01/17
NaAsF6 ICSD 184565 Fm-3m (225) ✔ 8 56 1 6.3822 6.382 0.000 (0;000) ✗ 05/01/17
Ca5Ir ICSD 156887 Pnma (62) ✔ 24 268 1 0.0 0.000 0.625 (1;110) ✗ 04/08/17
Ca6FeN5 ICSD 33796 P6_3/mcm (193) ✔ 24 186 1 0.0 0.000 0.852 (0;000) ✗ 04/08/17
Ca6GaN5 ICSD 33795 P6_3/mcm (193) ✔ 24 196 1 0.6712 0.779 0.000 (0;000) ✗ 04/08/17
Ca6MnN5 ICSD 80184 P6_3/mcm (193) ✔ 24 200 1 0.0 0.000 0.605 (1;000) ✗ 04/08/17
Li2Si ICSD 24146 C2/m (12) ✔ 6 20 1 0.0 0.011 0.500 (1;001) ✔ 27/01/17
Ca7Ni4Sn13 COD 1528162 P4/m (83) ✔ 24 292 3 0.0 0.003 0.911 (1;110) ✗ 04/08/17
CaCd2Cu9 ICSD 424134 P4/mbm (127) ✔ 24 266 3 0.0 0.000 0.906 (0;111) ✗ 04/08/17
AsN(OF3)2 ICSD 68906 C2/m (12) ✔ 10 64 2 0.0 0.004 0.358 (0;001) ✗ 05/01/17
CaMnF5 COD 1518174 C2/c (15) ✔ 14 120 1 0.0 0.002 0.361 (0;000) ✗ 04/08/17
CaGa4O7 COD 2002230 C2/c (15) ✔ 24 208 3 3.0163 3.016 0.000 (0;000) ✗ 04/08/17
AsS2NF6 ICSD 62120 C2/m (12) ✔ 10 64 1 2.5737 2.574 0.000 (0;000) ✗ 05/01/17
MnCu2Sb ICSD 53312 Fm-3m (225) ✔ 4 42 3 0.0 0.025 0.543 (0;000) ✗ 27/01/17
Zr3Cd2 ICSD 102092 Pmmm (47) ✔ 5 60 2 0.0 0.001 0.667 (1;001) ✗ 06/10/16
CaMg2 COD 4313241 P6_3/mmc (194) ✔ 24 240 1 0.0 0.001 0.755 (1;000) ✗ 04/08/17
CaSO4 COD 9003568 P2_1/c (14) ✔ 24 160 1 6.4075 6.633 0.000 (0;000) ✗ 04/08/17
CaSO4 COD 9003569 Pnma (62) ✔ 24 160 1 6.7502 6.838 0.000 (0;000) ✗ 04/08/17
CaTeO4 ICSD 8097 Pbcn (60) ✔ 24 160 1 2.2643 2.264 0.000 (0;000) ✗ 04/08/17
CaV2O6 ICSD 21064 C2/m (12) ✔ 9 72 1 2.8183 2.818 0.000 (0;000) ✗ 04/08/17
CaTe3O8 COD 9000671 C2/c (15) ✔ 24 152 3 2.4307 2.514 0.000 (0;000) ✗ 04/08/17
BaCN2 ICSD 75041 R-3c (167) ✔ 24 144 1 0.723 0.994 0.000 (0;000) ✗ 04/08/17
Si3CCl8 ICSD 73125 P-1 (2) ✔ 24 144 3 4.5556 4.605 0.000 (0;000) ✗ 04/08/17
Cs2CO3 COD 1527331 P2_1/c (14) ✔ 24 160 3 3.4916 3.511 0.000 (0;000) ✗ 04/08/17
Tl3Cd2I7 ICSD 63340 Pbam (55) ✔ 24 224 3 1.5368 1.678 0.000 (0;000) ✗ 04/08/17
Cd2P2O7 COD 2208748 P-1 (2) ✔ 22 152 3 2.9988 3.347 0.000 (0;000) ✗ 04/08/17
Cd4OF6 COD 4030609 P4_2/nmc (137) ✔ 22 192 3 1.9948 2.002 0.000 (0;000) ✗ 04/08/17
CrCdO4 COD 1008085 C2/m (12) ✔ 24 200 3 1.9739 2.046 0.000 (0;000) ✗ 04/08/17
CdCu2 ICSD 150582 P6_3/mmc (194) ✔ 24 272 3 0.0 0.002 0.824 (0;000) ✗ 04/08/17
RbAsF6 ICSD 408069 R-3 (148) ✔ 8 56 1 6.0558 6.056 0.000 (0;000) ✗ 05/01/17
CdI2 COD 8103505 P-3m1 (164) ✔ 24 208 1 1.8942 2.124 0.000 (0;000) ✗ 04/08/17
TlAsF6 ICSD 417954 R-3 (148) ✔ 8 60 1 5.1421 5.237 0.000 (0;000) ✗ 05/01/17
MgCu2 COD 1524810 Fd-3m (227) ✔ 6 64 3 0.0 0.000 0.731 (0;000) ✗ 27/01/17
Fe2As COD 1011298 P4/nmm (129) ✔ 6 42 3 0.0 0.000 0.749 (1;001) ✗ 05/01/17
LiFeAs COD 4501852 P4/nmm (129) ✔ 6 32 1 0.0 0.007 0.546 (1;001) ✗ 05/01/17